CID 54677783

200060-89-5

Structural Information

Molecular Formula
C28H22O6
SMILES
CC(C)C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O
InChI
InChI=1S/C28H22O6/c1-15(2)16-11-13-17(14-12-16)22(23-25(29)18-7-3-5-9-20(18)33-27(23)31)24-26(30)19-8-4-6-10-21(19)34-28(24)32/h3-15,22,29-30H,1-2H3
InChIKey
HJFQCLUSKVFGHQ-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-(4-propan-2-ylphenyl)methyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

4
Patents

454.14163 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.14891 211.2
[M+Na]+ 477.13085 220.5
[M-H]- 453.13435 222.5
[M+NH4]+ 472.17545 217.3
[M+K]+ 493.10479 217.9
[M+H-H2O]+ 437.13889 199.9
[M+HCOO]- 499.13983 226.3
[M+CH3COO]- 513.15548 220.3
[M+Na-2H]- 475.11630 213.7
[M]+ 454.14108 216.9
[M]- 454.14218 216.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe